[Chimera-users] Duplicate Atom Serial Numbers

Albion Baucom baucom at msg.ucsf.edu
Fri Nov 17 11:26:40 PST 2006

Thanks Elaine, Tom.

This is of course for "quick and dirty" helical structures where I  
want to take a single chain and replicate it dozens of times while  
imposing symmetry to create a short segment of a fiber. The MODEL and  
ENDMDL are good suggestions, as well as the /dev/null redirect.

I suppose there are scenarios when one would want to know about  
duplicate atoms, but in my case there are just so many that it is  
pointless to print them all out. The ultimate solution here is really  
for me to not to be so lazy ;)

As an aside, I typically use the program pdbsymm which is included  
with the SITUS package to impose the symmetry to generate an  
arbitrary number of symmetry mates along a helical axis (using polar  
coordinates). It simply replicates the original PDB file while  
updating the coordinates, thus I have the duplicate numbering problem.

But your suggestions should do the trick in the meantime.

Thanks again.


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